Mrv1652309092222362D 29 31 0 0 1 0 999 V2000 1.8304 -1.8899 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3460 -1.2458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1279 -0.4501 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3561 -0.1588 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8173 0.0031 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4614 -0.5125 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.2755 -0.3788 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5668 0.3930 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0440 1.0312 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3809 0.5267 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.6722 1.2985 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.4863 1.4322 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.7776 2.2040 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.5917 2.3377 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.8830 3.1095 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3602 3.7478 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.1145 1.6995 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.9286 1.8331 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.8232 0.9276 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.3460 0.2894 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.0091 0.7940 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.7178 0.0221 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.9037 -0.1115 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6124 -0.8834 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7983 -1.0170 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0002 -0.8080 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5070 -1.7889 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6929 -1.9226 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1701 -1.2843 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 2 3 1 0 0 0 0 3 4 2 0 0 0 0 3 5 1 0 0 0 0 6 5 1 6 0 0 0 6 7 1 0 0 0 0 7 8 2 0 0 0 0 8 9 1 0 0 0 0 8 10 1 0 0 0 0 10 11 1 6 0 0 0 12 11 1 6 0 0 0 12 13 1 0 0 0 0 13 14 1 0 0 0 0 14 15 1 6 0 0 0 15 16 1 0 0 0 0 14 17 1 0 0 0 0 17 18 1 1 0 0 0 17 19 1 0 0 0 0 19 20 1 6 0 0 0 19 21 1 0 0 0 0 12 21 1 0 0 0 0 21 22 1 1 0 0 0 10 23 1 0 0 0 0 23 24 1 0 0 0 0 24 25 2 0 0 0 0 25 26 1 0 0 0 0 25 27 1 0 0 0 0 27 28 1 0 0 0 0 28 29 1 0 0 0 0 29 2 1 1 0 0 0 6 29 1 0 0 0 0 M END > NP0290092 > NP-MRD > C\C1=C/C[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)\C(C)=C\[C@H]2OC(=O)C(=C)[C@@H]2CC1 > InChI=1S/C21H30O8/c1-10-4-6-13-12(3)20(26)27-15(13)8-11(2)14(7-5-10)28-21-19(25)18(24)17(23)16(9-22)29-21/h5,8,13-19,21-25H,3-4,6-7,9H2,1-2H3/b10-5+,11-8+/t13-,14+,15+,16+,17+,18-,19+,21+/m0/s1 > DMRCRRQHOSAUMP-FSSXDESHSA-N > C21H30O8 > 410.463 > 410.194067926 > 7 > 59 > 42.6772588168855 > 1 > 4 > 0 > 1 > (3aS,9R,11aR)-6,10-dimethyl-3-methylidene-9-{[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-2H,3H,3aH,4H,5H,8H,9H,11aH-cyclodeca[b]furan-2-one > 0.8145199340000002 > 0 > 3 > 0 > 13.199902786040653 > 12.210081692768084 > -2.9810836857239913 > 125.68000000000002 > 103.8752 > 3 > 1 > (3aS,9R,11aR)-6,10-dimethyl-3-methylidene-9-{[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-3aH,4H,5H,8H,9H,11aH-cyclodeca[b]furan-2-one > 0 > NP0290092 > (3as,9r,11ar)-6,10-dimethyl-3-methylidene-9-{[(2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-3ah,4h,5h,8h,9h,11ah-cyclodeca[b]furan-2-one $$$$